tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate

C16H26N2O6 — CID 170560227

IUPACtert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C(=O)NCCOCCN2OC=CO2)CCC1
InChIInChI=1S/C16H26N2O6/c1-15(2,3)24-14(20)16(5-4-6-16)13(19)17-7-9-21-10-8-18-22-11-12-23-18/h11-12H,4-10H2,1-3H3,(H,17,19)
InChIKeyDLQMWLWMUJALKP-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.28
Rot. Bonds8

About tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate

tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate (PubChem CID 170560227) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate
PubChem CID170560227
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Nametert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(C(=O)NCCOCCN2OC=CO2)CCC1
InChIInChI=1S/C16H26N2O6/c1-15(2,3)24-14(20)16(5-4-6-16)13(19)17-7-9-21-10-8-18-22-11-12-23-18/h11-12H,4-10H2,1-3H3,(H,17,19)
InChIKeyDLQMWLWMUJALKP-UHFFFAOYSA-N
XLogP1.28
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 126822697
1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096609
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 55261667
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]ethyl]carbamate
CID 169093880
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
1-(N'-hydroxycarbamimidoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 77009358
tert-butyl 1-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylate
CID 122573455
tert-butyl 1-acetylcyclopentane-1-carboxylate;1,4-dibromobutane
CID 159278524
(2S)-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrrolidine-2-carboxylic acid
CID 175604221
1-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]cyclopentane-1-carboxamide
CID 104877293
3-[4-[2-[4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]piperazin-1-yl]propanoic acid
CID 170919495

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate (CID 170560227) is tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate is CC(C)(C)OC(=O)C1(C(=O)NCCOCCN2OC=CO2)CCC1.
What is the InChIKey of tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate?
The InChIKey is DLQMWLWMUJALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-15(2,3)24-14(20)16(5-4-6-16)13(19)17-7-9-21-10-8-18-22-11-12-23-18/h11-12H,4-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate?
tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[2-(1,3,2-dioxazol-2-yl)ethoxy]ethylcarbamoyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 170560227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).